1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide

C15H22FN3O2 — CID 102877786

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1ccc(CN2CCNCC2C(=O)N(C)C)c(F)c1
InChIInChI=1S/C15H22FN3O2/c1-18(2)15(20)14-9-17-6-7-19(14)10-11-4-5-12(21-3)8-13(11)16/h4-5,8,14,17H,6-7,9-10H2,1-3H3
InChIKeyABAYASBYXBSYTE-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.70
Rot. Bonds4

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide

1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 102877786) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
PubChem CID102877786
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1ccc(CN2CCNCC2C(=O)N(C)C)c(F)c1
InChIInChI=1S/C15H22FN3O2/c1-18(2)15(20)14-9-17-6-7-19(14)10-11-4-5-12(21-3)8-13(11)16/h4-5,8,14,17H,6-7,9-10H2,1-3H3
InChIKeyABAYASBYXBSYTE-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 102877782
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 102879474
2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine
CID 102879475
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
1-[(3-chloro-5-fluorophenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 114453785
1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 80702285
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 125001743
N-butyl-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95723294
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072262
1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-2-carbothioamide
CID 102876775
1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 79427851
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 45172728

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide (CID 102877786) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide is COc1ccc(CN2CCNCC2C(=O)N(C)C)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is ABAYASBYXBSYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-18(2)15(20)14-9-17-6-7-19(14)10-11-4-5-12(21-3)8-13(11)16/h4-5,8,14,17H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide?
1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 102877786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).